SCHEMBL10830418

SCHEMBL10830418

C=C(c1ccc(O)c(O)c1)C(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ CA12 O43570 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA7 P43166 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CA4 P22748 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ RECQL P46063 3/20 0.46
▸ DBH P09172 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ BLM P54132 3/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ LMNA P02545 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10830984 0.85 GRM1 (0.41) KDM4ECA12CA1CA2CA7
SCHEMBL10830071 0.77 CA12 (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL14478186 0.76 KDM4E (0.50) KDM4ECA12CA1CA2CA7
SCHEMBL14640234 0.75 KDM4E (0.42) KDM4ECA12CA1CA2CA7
SCHEMBL5328242 0.75 TSHR (0.44) KDM4ECA12CA1CA2CA7
SCHEMBL10830478 0.75 KDM4E (0.47) KDM4ECA12CA1CA2CA7
SCHEMBL11162284 0.73 CA12 (0.57) CA12CA1CA2CA7CA9
Protocatechuic Acid SCHEMBL3985068 0.72 CA12 (0.95) KDM4ECA12CA1CA2CA7
SCHEMBL7096163 0.71 CA12 (0.61) KDM4ECA12CA1CA2CA7
SCHEMBL29503047 0.71 CA12 (0.61) KDM4ECA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066518-B1 COMPOUNDS AND METHODS FOR TREATING DEPRESSION MERRELL DOW FRANCE ET CIE (FR) 1986-06-11 — — EP claimed
US-4413012-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1983-11-01 — — US claimed
EP-0025233-B1 METHOD FOR PURIFICATION OF 6-(D-2-(D-2-AMINO-3-N-METHYLCARBAMOYLPROPIONAMIDO)-2-P-HYDROXYPHENYLACETAMIDO)-PENICILLANIC ACID Tanabe Seiyaku Co., Ltd. (JP) 1983-03-30 — — EP claimed
EP-0066518-A2 Compounds and methods for treating depression MERRELL DOW FRANCE ET CIE (FR) 1982-12-08 — — EP claimed
US-4346110-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1982-08-24 — — US claimed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 — — US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 — — US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — US disclosed
EP-0066518-B1 COMPOUNDS AND METHODS FOR TREATING DEPRESSION MERRELL DOW FRANCE ET CIE (FR) 1986-06-11 — — EP disclosed
US-4413012-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1983-11-01 — — US disclosed
US-4413012-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1983-11-01 — — US disclosed
EP-0066518-A2 Compounds and methods for treating depression MERRELL DOW FRANCE ET CIE (FR) 1982-12-08 — — EP disclosed
US-4346110-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1982-08-24 — — US disclosed
US-4346110-A Method for treating depression MERRELL TORAUDE ET COMPAGNIE (FR) 1982-08-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP KDM4E 648/4885CA12 1610/4885CA1 2482/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS KDM4E 729/4885CA12 1527/4885CA1 2340/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885CA12 1551/4885CA1 2404/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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